For the EDIFFG-tag, it says "If the change in the total (free) energy is smaller than EDIFFG between two ionic steps relaxation will be stopped."
I wonder if EDIFFG is the absolute change of the total energy. And what's the unit for EDIFFG? eV?
Thanks a lot.
About the EDIFFG-tag
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fzcsydl
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About the EDIFFG-tag
Last edited by fzcsydl on Sat Jul 24, 2010 5:08 am, edited 1 time in total.
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support_vasp
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Re: About the EDIFFG-tag
Hi,
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